(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C15H16N4O2S/c1-3-8-19-13(16-17-18-19)9-21-15(20)14-10(2)11-6-4-5-7-12(11)22-14/h4-7H,3,8-9H2,1-2H3